C6H6 + Br2 PES

cf. J. Kong, B. Galabov, G. Koleva, J.-J. Zou, H. F. Schaefer III, and P.v.R. Schleyer, Angew. Chem. Int. Ed. 2011, 50, 6809-6813


Click on a level title to download xyz file
Click on energy level to view 3D structure (run jmol java-applet)
-9.02 -9.02 1.82 1.82 12.96 12.96 14.22 14.22 14.60 14.60 18.65 18.65 32.83 32.83 35.31 35.31 40.95 40.95 41.75 41.75 44.69 44.69 45.47 45.47 45.94 45.94 46.01 46.01 46.11 46.11